UCSF

ZINC34040914

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2009 22 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.14 6.22 -12.06 1 3 0 54 302.414 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1032380A1; US5707983; WO1992003925A1; WO1995006472A1; WO1999025192A1; WO1999025333A1; WO2000023080A1; WO2000056757A1 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )